4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C37H38FN7O2 — CID 145034791

About 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 145034791) has the molecular formula C37H38FN7O2 and a molecular weight of 631.76 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034791
• Molecular Formula: C37H38FN7O2
• Molecular Weight: 631.76 g/mol
• Exact Mass: 631.31
• IUPAC Name: 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• SMILES: Fc1cc(OCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccc(OCCN7CCCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C37H38FN7O2/c38-28-20-27(22-30(24-28)47-19-17-45-14-3-4-15-45)34-36-33(10-11-39-34)40-37(41-36)35-31-23-26(8-9-32(31)42-43-35)25-6-5-7-29(21-25)46-18-16-44-12-1-2-13-44/h5-11,20-24H,1-4,12-19H2,(H,40,41)(H,42,43)
• InChIKey: PGLBFIJPLOGMAU-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 95.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.76
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 145034791) is 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccc(OCCN7CCCC7)c6)cc45)nc23)c1.

What is the InChIKey of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The InChIKey is PGLBFIJPLOGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN7O2/c38-28-20-27(22-30(24-28)47-19-17-45-14-3-4-15-45)34-36-33(10-11-39-34)40-37(41-36)35-31-23-26(8-9-32(31)42-43-35)25-6-5-7-29(21-25)46-18-16-44-12-1-2-13-44/h5-11,20-24H,1-4,12-19H2,(H,40,41)(H,42,43).

What are the key properties of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 631.76 g/mol, XLogP of 6.92, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).